N-butan-2-yl-1-(3-nitrophenyl)isoquinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-1-(3-nitrophenyl)isoquinoline-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-sec-butyl-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-1-(3-nitrophenyl)-3-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-(3-nitrophenyl)isoquinoline-3-carboxamide Traditional Name: 1-(3-nitrophenyl)-N-sec-butyl-isoquinoline-3-carboxamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3/c1-3-13(2)21-20(24)18-12-14-7-4-5-10-17(14)19(22-18)15-8-6-9-16(11-15)23(25)26/h4-13H,3H2,1-2H3,(H,21,24)